SCHEMBL6322983

SCHEMBL6322983

O=C(O)CC(Cc1cc(OCCc2ccc3c(n2)NCCN3)n(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.75
ITGAV P06756 20/20 0.75
ITGB6 P18564 17/20 0.75
ITGB5 P18084 12/20 0.69
ITGA2B P08514 10/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6274338 0.90 ITGB3 (0.85) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6274342 0.90 ITGB3 (0.85) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6222237 0.87 ITGB3 (0.81) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6220164 0.86 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL8347504 0.85 ITGAV (0.56) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL8348637 0.84 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6329648 0.82 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6222945 0.81 ITGB3 (0.89) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6328875 0.80 ITGB3 (0.86) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6220208 0.79 ITGB3 (0.84) ITGB3ITGAVITGB6ITGB5ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB3, ITGB5 ITGB3 2/4885ITGAV 4/4885ITGB6 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.